CID 69209

Diisopropyl oxalate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(C)OC(=O)C(=O)OC(C)C

InChI

InChI=1S/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4H3

InChIKey

ITHNIFCFNUZYLQ-UHFFFAOYSA-N

Compound name

dipropan-2-yl oxalate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 826
Patents: 174.0892 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.09648	137.2
[M+Na]+	197.07842	143.6
[M-H]-	173.08192	137.7
[M+NH4]+	192.12302	157.5
[M+K]+	213.05236	145.4
[M+H-H2O]+	157.08646	132.5
[M+HCOO]-	219.08740	157.9
[M+CH3COO]-	233.10305	180.9
[M+Na-2H]-	195.06387	138.5
[M]+	174.08865	140.9
[M]-	174.08975	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe